⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9651942 | 0.71 | DAO (0.35) | — | |
| Methyl Alcohol SCHEMBL10895232 | 0.70 | DAO (0.36) | — | |
| Hydrochloric Acid SCHEMBL6344142 | 0.70 | — | — | |
| SCHEMBL389119 | 0.67 | — | — | |
| SCHEMBL11386377 | 0.67 | — | — | |
| SCHEMBL1680364 | 0.67 | — | — | |
| SCHEMBL354072 | 0.67 | — | — | |
| SCHEMBL14353589 | 0.67 | MEN1 (0.33) | — | |
| SCHEMBL8168359 | 0.67 | — | — | |
| SCHEMBL10895229 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117986408-A | Hydrosilylation functionalized rubber, functionalized rubber composite material, preparation method and application thereof | 北京化工大学 | 2024-05-07 | — | — | CN | disclosed |